4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide

C33H31F4N5O5 — CID 167023910

IUPAC4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cc(C3CC3)nn2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C33H31F4N5O5/c1-31(42-15-24(40-41-42)18-3-4-18)17-46-29-23(31)14-27(39-28(29)19-5-8-21(34)9-6-19)32(44,33(35,36)37)16-38-30(43)20-7-12-25(26(13-20)45-2)47-22-10-11-22/h5-9,12-15,18,22,44H,3-4,10-11,16-17H2,1-2H3,(H,38,43)/t31-,32?/m0/s1
InChIKeyBVINOVITCDYMTP-CYZZXXEPSA-N
MW653.63 g/mol
LogP5.24
Rot. Bonds10

About 4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide

4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide (PubChem CID 167023910) has the molecular formula C33H31F4N5O5 and a molecular weight of 653.63 g/mol. Its IUPAC name is 4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide
PubChem CID167023910
Molecular FormulaC33H31F4N5O5
Molecular Weight653.63 g/mol
Exact Mass653.23
IUPAC Name4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cc(C3CC3)nn2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C33H31F4N5O5/c1-31(42-15-24(40-41-42)18-3-4-18)17-46-29-23(31)14-27(39-28(29)19-5-8-21(34)9-6-19)32(44,33(35,36)37)16-38-30(43)20-7-12-25(26(13-20)45-2)47-22-10-11-22/h5-9,12-15,18,22,44H,3-4,10-11,16-17H2,1-2H3,(H,38,43)/t31-,32?/m0/s1
InChIKeyBVINOVITCDYMTP-CYZZXXEPSA-N
XLogP5.24
TPSA120.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.63
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-cyclopropyloxy-N-[(2S)-2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide
CID 167023911
4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
CID 167024175
[2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate
CID 166667150
N-[(2S)-2-[(3R)-3-azido-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 171406019
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 167023976
N-[2-[(3S)-3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 134323035
N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethylamino)-3-methoxybenzamide
CID 122503296
N-[(2R)-2-[(3S)-3-(carbamoylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
CID 122502953
N-[2-[(3S)-3-amino-3-cyclopropyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
CID 122503025
N-[(2R)-2-[(3S)-3-amino-3-cyclopropyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
CID 122503162
4-cyclopropyloxy-N-[2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 167023665
4-cyclopropyloxy-N-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 167023914

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide?
The IUPAC name of 4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide (CID 167023910) is 4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide.
What is the SMILES notation for 4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide?
The canonical SMILES for 4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide is COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cc(C3CC3)nn2)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of 4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide?
The InChIKey is BVINOVITCDYMTP-CYZZXXEPSA-N. The full InChI is InChI=1S/C33H31F4N5O5/c1-31(42-15-24(40-41-42)18-3-4-18)17-46-29-23(31)14-27(39-28(29)19-5-8-21(34)9-6-19)32(44,33(35,36)37)16-38-30(43)20-7-12-25(26(13-20)45-2)47-22-10-11-22/h5-9,12-15,18,22,44H,3-4,10-11,16-17H2,1-2H3,(H,38,43)/t31-,32?/m0/s1.
What are the key properties of 4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide?
4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide has a molecular weight of 653.63 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide is sourced from PubChem (CID 167023910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).